#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2br4 n TYR 4 N 0.00 0.68 -0.12 -0.67 0.18 -1.26 -3.61 117.16 112.35 2br4 n TYR 4 Ca 0.00 0.24 -0.10 0.00 1.88 0.00 0.00 57.90 59.92 2br4 n TYR 4 Cb 0.00 -1.08 -0.02 0.00 -0.38 0.00 0.00 39.34 37.86 2br4 n TYR 4 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2br4 h SER 5 N 0.00 0.60 0.81 9.48 0.87 -2.10 -3.14 113.55 120.07 2br4 h SER 5 Ca -0.32 -0.28 -0.04 0.00 -1.23 0.00 0.00 61.79 59.92 2br4 h SER 5 Cb 1.94 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 63.74 2br4 h SER 5 CO 0.05 0.74 -0.48 0.03 -0.53 0.00 0.00 176.83 176.64 2br4 h ARG 6 N 0.45 -1.16 -6.46 2.24 3.08 -2.12 -3.46 114.38 106.95 2br4 h ARG 6 Ca 0.11 0.08 -0.59 0.00 0.07 0.00 0.00 59.98 59.65 2br4 h ARG 6 Cb 0.41 0.26 0.16 0.00 0.08 0.00 0.00 29.97 30.88 2br4 h ARG 6 CO 0.01 -0.77 -0.35 1.04 -1.07 0.00 0.00 179.97 178.84 2br4 n GLN 7 N -5.50 0.61 -4.95 0.04 1.13 -1.19 -5.04 117.38 102.48 2br4 n GLN 7 Ca -0.15 0.23 -0.31 0.00 -1.94 0.00 0.00 57.00 54.83 2br4 n GLN 7 Cb 0.50 -1.67 -0.17 0.00 0.11 0.00 0.00 30.24 29.01 2br4 n GLN 7 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2br4 s ASN 8 N -1.05 2.96 -0.25 1.08 2.47 -1.26 -4.98 114.94 113.91 2br4 s ASN 8 Ca 0.66 -0.55 -0.11 0.00 0.42 0.00 0.00 52.86 53.29 2br4 s ASN 8 Cb -0.51 -1.36 -0.05 0.00 -1.45 0.00 0.00 41.25 37.89 2br4 s ASN 8 CO 0.56 0.12 0.16 -0.36 -3.72 0.00 0.00 177.10 173.86 2br4 s PHE 9 N 0.56 3.29 0.68 0.43 0.40 -1.26 -5.08 117.98 117.00 2br4 s PHE 9 Ca -0.14 0.19 -0.16 0.00 -0.60 0.00 0.00 56.93 56.21 2br4 s PHE 9 Cb -0.17 -2.29 0.01 0.00 0.51 0.00 0.00 43.02 41.08 2br4 s PHE 9 CO 0.04 0.01 1.21 -0.51 0.70 0.00 0.00 175.22 176.67 2br4 s LEU 10 N 1.22 3.44 -0.36 -0.37 1.43 -1.26 -4.96 118.68 117.81 2br4 s LEU 10 Ca 0.07 2.36 -0.29 0.00 -1.03 0.00 0.00 54.13 55.24 2br4 s LEU 10 Cb -0.14 -4.59 0.02 0.00 0.03 0.00 0.00 46.19 41.51 2br4 s LEU 10 CO 0.06 -2.01 1.15 -0.62 0.23 0.00 0.00 176.35 175.15 2br4 s ASP 11 N -1.91 6.78 0.31 2.29 -1.08 -1.26 -4.91 116.67 116.90 2br4 s ASP 11 Ca 0.75 0.92 0.23 0.00 -0.52 0.00 0.00 52.55 53.93 2br4 s ASP 11 Cb -0.30 -2.54 1.12 0.00 -1.46 0.00 0.00 42.92 39.74 2br4 s ASP 11 CO 0.41 -1.04 1.71 0.18 0.52 0.00 0.00 175.17 176.95 2br4 n LEU 12 N 7.35 0.65 0.31 -1.34 4.32 -1.26 -2.04 117.00 124.98 2br4 n LEU 12 Ca 0.13 0.73 0.20 0.00 -0.02 0.00 0.00 56.01 57.04 2br4 n LEU 12 Cb 0.48 -0.72 0.95 0.00 -1.62 0.00 0.00 43.42 42.51 2br4 n LEU 12 CO 0.64 -0.79 1.09 0.78 -1.22 0.00 0.00 177.39 177.89 2br4 h ASN 13 N 0.00 0.00 -0.48 -1.43 2.35 -2.00 -1.35 115.58 112.67 2br4 h ASN 13 Ca 0.00 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 55.89 2br4 h ASN 13 Cb 0.18 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 2br4 h ASN 13 CO 0.00 0.01 0.46 -0.07 -1.65 0.00 0.00 177.43 176.18 2br4 h LEU 14 N 0.00 0.00 -2.14 1.61 4.07 -1.83 -2.59 115.31 114.44 2br4 h LEU 14 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2br4 h LEU 14 Cb 0.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2br4 h LEU 14 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.85 2br4 n PHE 15 N -3.83 0.29 -1.68 1.13 3.01 -0.51 -4.95 117.46 110.93 2br4 n PHE 15 Ca 0.09 -0.20 -0.46 0.00 1.01 0.00 0.00 57.45 57.89 2br4 n PHE 15 Cb 0.66 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 40.08 2br4 n PHE 15 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2br4 n ARG 16 N 1.04 2.29 -1.49 -1.08 0.00 -0.98 -1.21 116.66 115.23 2br4 n ARG 16 Ca 0.13 0.83 -0.17 0.00 -0.00 0.00 0.00 57.85 58.65 2br4 n ARG 16 Cb 0.48 -2.65 -0.07 0.00 0.00 0.00 0.00 32.46 30.22 2br4 n ARG 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2br4 n GLY 17 N 3.83 1.63 1.29 5.14 0.00 -1.26 -4.77 105.19 111.05 2br4 n GLY 17 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2br4 n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2br4 n LEU 18 N -2.02 0.51 0.00 0.99 4.77 -0.35 -5.12 117.00 115.77 2br4 n LEU 18 Ca -0.17 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2br4 n LEU 18 Cb 0.61 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2br4 n LEU 18 CO 0.26 -0.55 0.00 0.61 -1.33 0.00 0.00 177.39 176.38 2br4 n GLY 19 N 2.84 -0.30 0.00 -0.72 0.00 -0.85 -4.90 105.19 101.26 2br4 n GLY 19 Ca 0.00 -2.28 0.08 0.00 0.00 0.00 0.00 46.02 43.83 2br4 n GLY 19 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2br4 n GLU 20 N -0.68 0.88 -3.82 1.61 0.28 -1.26 -4.61 120.64 113.04 2br4 n GLU 20 Ca 0.00 -0.10 -0.27 0.00 -0.16 0.00 0.00 57.16 56.63 2br4 n GLU 20 Cb 0.00 -1.37 -0.17 0.00 1.43 0.00 0.00 31.44 31.34 2br4 n GLU 20 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2br4 s ASP 21 N -3.46 2.76 0.58 -1.84 -1.08 -1.26 -5.00 116.67 107.37 2br4 s ASP 21 Ca -0.02 -0.68 0.31 0.00 -0.52 0.00 0.00 52.55 51.65 2br4 s ASP 21 Cb 0.12 -0.75 1.79 0.00 -1.46 0.00 0.00 42.92 42.61 2br4 s ASP 21 CO 0.71 -0.23 2.21 1.55 0.52 0.00 0.00 175.17 179.93 2br4 h PRO 22 N 8.18 0.00 -6.74 4.34 0.13 -1.90 -3.42 132.00 132.59 2br4 h PRO 22 Ca -0.20 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.42 2br4 h PRO 22 Cb 1.11 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.26 2br4 h PRO 22 CO 0.36 0.04 0.50 0.00 -0.23 0.00 0.00 178.00 178.67 2br4 s ALA 23 N -4.39 3.41 0.27 -0.56 0.00 -1.26 -4.45 121.76 114.78 2br4 s ALA 23 Ca -0.04 0.90 -0.29 0.00 0.00 0.00 0.00 51.96 52.52 2br4 s ALA 23 Cb 0.14 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 2br4 s ALA 23 CO 0.54 -0.23 1.02 -0.47 0.00 0.00 0.00 175.76 176.61 2br4 s TYR 24 N -0.66 3.75 -0.01 0.00 5.04 -1.26 -4.94 117.35 119.27 2br4 s TYR 24 Ca 0.48 1.80 0.00 0.00 -2.44 0.00 0.00 57.07 56.91 2br4 s TYR 24 Cb -0.32 -3.12 0.01 0.00 0.35 0.00 0.00 41.96 38.89 2br4 s TYR 24 CO 0.39 -0.05 -0.00 -1.01 -1.34 0.00 0.00 175.55 173.53 2br4 s HIS 25 N -1.23 0.19 0.55 4.97 3.76 -1.26 -5.01 115.29 117.26 2br4 s HIS 25 Ca 0.44 0.01 -0.20 0.00 -0.15 0.00 0.00 55.06 55.16 2br4 s HIS 25 Cb -0.28 -0.22 -0.08 0.00 1.11 0.00 0.00 32.58 33.11 2br4 s HIS 25 CO 0.35 -0.06 0.80 -2.30 -0.85 0.00 0.00 174.74 172.68 2br4 n PRO 26 N 3.57 0.83 -1.20 8.40 -0.02 -1.26 -4.93 135.00 140.38 2br4 n PRO 26 Ca -0.20 0.31 -0.35 0.00 -2.02 0.00 0.00 63.50 61.25 2br4 n PRO 26 Cb 0.55 -1.94 0.11 0.00 -0.02 0.00 0.00 33.50 32.19 2br4 n PRO 26 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2br4 n PRO 27 N -0.38 0.30 -4.64 0.52 -0.02 -1.26 -5.02 135.00 124.51 2br4 n PRO 27 Ca 0.12 0.17 -0.33 0.00 -2.02 0.00 0.00 63.50 61.44 2br4 n PRO 27 Cb 0.45 -2.28 -0.16 0.00 -0.02 0.00 0.00 33.50 31.49 2br4 n PRO 27 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2br4 s VAL 28 N -1.99 2.26 0.13 -1.45 1.01 -1.26 -5.11 120.40 113.99 2br4 s VAL 28 Ca 0.72 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 2br4 s VAL 28 Cb -0.31 -1.92 -0.07 0.00 0.00 0.00 0.00 36.38 34.08 2br4 s VAL 28 CO 0.52 0.54 1.08 -0.76 0.00 0.00 0.00 175.10 176.47 2br4 s LEU 29 N 0.80 4.46 -0.14 3.92 2.01 -1.26 -4.81 118.68 123.66 2br4 s LEU 29 Ca -0.07 1.98 0.01 0.00 0.01 0.00 0.00 54.13 56.06 2br4 s LEU 29 Cb -0.16 -3.59 -0.09 0.00 0.01 0.00 0.00 46.19 42.36 2br4 s LEU 29 CO -0.01 -0.23 -0.12 0.41 1.01 0.00 0.00 176.35 177.41 2br4 n THR 30 N 2.81 0.79 -0.82 5.49 -1.04 -1.26 -4.76 114.28 115.49 2br4 n THR 30 Ca 0.04 -0.30 0.08 0.00 -2.04 0.00 0.00 64.05 61.83 2br4 n THR 30 Cb 0.47 -1.01 0.15 0.00 -1.82 0.00 0.00 70.33 68.11 2br4 n THR 30 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2br4 n ASP 31 N -2.93 2.69 -3.49 8.00 5.75 -1.26 -5.03 116.55 120.28 2br4 n ASP 31 Ca -0.25 -2.82 -0.12 0.00 -0.01 0.00 0.00 54.79 51.59 2br4 n ASP 31 Cb 0.76 -0.37 -0.03 0.00 -1.03 0.00 0.00 41.12 40.44 2br4 n ASP 31 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2br4 s ARG 32 N -2.43 1.19 0.65 0.11 3.03 -1.26 -5.09 118.95 115.15 2br4 s ARG 32 Ca 0.28 -0.42 -0.12 0.00 2.03 0.00 0.00 55.73 57.50 2br4 s ARG 32 Cb 0.24 0.55 -0.02 0.00 -1.03 0.00 0.00 34.95 34.69 2br4 s ARG 32 CO 0.05 -0.49 1.05 -1.25 -1.13 0.00 0.00 175.30 173.52 2br4 s PRO 33 N -3.38 3.21 0.23 3.89 0.04 -1.26 -4.84 135.00 132.89 2br4 s PRO 33 Ca -0.00 0.95 0.05 0.00 0.04 0.00 0.00 61.00 62.04 2br4 s PRO 33 Cb -0.00 -2.03 0.22 0.00 0.04 0.00 0.00 34.50 32.73 2br4 s PRO 33 CO -0.09 -0.88 1.54 -0.09 0.04 0.00 0.00 177.00 177.51 2br4 h ARG 34 N -0.32 0.20 -3.89 4.56 2.43 -2.01 -3.40 114.38 111.95 2br4 h ARG 34 Ca -0.45 -0.15 -0.73 0.00 -0.81 0.00 0.00 59.98 57.84 2br4 h ARG 34 Cb 1.21 0.03 -0.31 0.00 -0.42 0.00 0.00 29.97 30.47 2br4 h ARG 34 CO 0.58 0.78 -0.25 -0.51 -1.51 0.00 0.00 179.97 179.07 2br4 s ASP 35 N -6.89 5.81 0.13 -3.80 1.01 -1.26 -5.06 116.67 106.59 2br4 s ASP 35 Ca -0.03 -2.51 -0.30 0.00 0.71 0.00 0.00 52.55 50.42 2br4 s ASP 35 Cb 0.12 -2.00 -0.07 0.00 1.01 0.00 0.00 42.92 41.98 2br4 s ASP 35 CO 0.80 -0.53 1.14 0.86 0.21 0.00 0.00 175.17 177.65 2br4 s TRP 36 N 0.46 3.52 0.28 4.23 -0.11 -1.26 -5.01 118.94 121.05 2br4 s TRP 36 Ca 0.14 1.48 -0.29 0.00 1.22 0.00 0.00 56.10 58.64 2br4 s TRP 36 Cb -0.19 -3.33 -0.10 0.00 -1.50 0.00 0.00 33.47 28.35 2br4 s TRP 36 CO -0.04 -0.87 1.26 -1.25 -4.62 0.00 0.00 176.95 171.42 2br4 s PRO 37 N 0.23 4.44 0.29 5.86 0.04 -1.26 -4.94 135.00 139.65 2br4 s PRO 37 Ca 0.53 2.07 0.14 0.00 0.04 0.00 0.00 61.00 63.78 2br4 s PRO 37 Cb -0.29 -3.14 0.34 0.00 0.04 0.00 0.00 34.50 31.45 2br4 s PRO 37 CO 0.33 -0.11 1.58 -0.07 0.04 0.00 0.00 177.00 178.77 2br4 h LEU 38 N 4.07 0.00 -1.49 -3.56 4.07 -1.99 -2.54 115.31 113.87 2br4 h LEU 38 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 2br4 h LEU 38 Cb 1.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.96 2br4 h LEU 38 CO 0.69 0.56 0.00 -2.24 -1.08 0.00 0.00 178.44 176.37 2br4 h ASP 39 N 0.00 0.00 -0.25 -0.43 2.03 -2.05 -2.01 116.42 113.71 2br4 h ASP 39 Ca -0.01 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.11 2br4 h ASP 39 Cb 1.18 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.53 2br4 h ASP 39 CO 0.07 0.00 -0.61 0.54 -1.03 0.00 0.00 179.24 178.21 2br4 n ARG 40 N -2.43 2.25 -0.31 4.15 1.74 -0.96 -4.85 116.66 116.26 2br4 n ARG 40 Ca -0.01 -3.59 0.06 0.00 -0.77 0.00 0.00 57.85 53.54 2br4 n ARG 40 Cb 0.10 -1.83 0.26 0.00 -1.02 0.00 0.00 32.46 29.97 2br4 n ARG 40 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 2br4 h TRP 41 N 1.39 1.03 0.00 -1.55 7.01 -1.34 -2.50 115.95 119.99 2br4 h TRP 41 Ca 0.12 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.13 2br4 h TRP 41 Cb 1.18 -0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 27.90 2br4 h TRP 41 CO 0.79 0.50 -0.10 0.00 -2.79 0.00 0.00 178.44 176.84 2br4 h ALA 42 N 1.53 0.99 -0.33 2.65 0.00 -1.89 -3.01 119.26 119.21 2br4 h ALA 42 Ca 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2br4 h ALA 42 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2br4 h ALA 42 CO -0.17 0.12 0.00 0.39 0.00 0.00 0.00 179.25 179.59 2br4 n GLU 43 N -3.20 1.98 -2.72 0.00 1.02 -0.94 -4.95 120.64 111.83 2br4 n GLU 43 Ca 0.01 -1.49 -0.40 0.00 -0.02 0.00 0.00 57.16 55.25 2br4 n GLU 43 Cb 0.40 -1.38 -0.05 0.00 -0.02 0.00 0.00 31.44 30.38 2br4 n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2br4 s ALA 44 N -1.56 3.33 0.48 0.62 0.00 -1.14 -5.00 121.76 118.49 2br4 s ALA 44 Ca 0.32 0.64 -0.24 0.00 0.00 0.00 0.00 51.96 52.68 2br4 s ALA 44 Cb 0.17 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.98 2br4 s ALA 44 CO 0.24 0.12 1.37 -1.25 0.00 0.00 0.00 175.76 176.24 2br4 s PRO 45 N -0.94 3.50 -0.03 0.00 0.04 -1.26 -4.94 135.00 131.38 2br4 s PRO 45 Ca 0.43 2.27 0.20 0.00 0.04 0.00 0.00 61.00 63.94 2br4 s PRO 45 Cb -0.26 -2.49 -0.30 0.00 0.04 0.00 0.00 34.50 31.49 2br4 s PRO 45 CO 0.32 -0.91 0.46 0.54 0.04 0.00 0.00 177.00 177.45 2br4 n ARG 46 N -0.51 0.60 -1.17 4.56 5.12 -1.26 -4.98 116.66 119.03 2br4 n ARG 46 Ca 0.07 -0.17 -0.29 0.00 -1.93 0.00 0.00 57.85 55.53 2br4 n ARG 46 Cb 0.44 -1.47 0.20 0.00 -1.16 0.00 0.00 32.46 30.47 2br4 n ARG 46 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 2br4 s ASP 47 N -4.19 1.90 0.24 0.55 3.84 -1.26 -4.94 116.67 112.81 2br4 s ASP 47 Ca -0.06 0.90 -0.05 0.00 -0.00 0.00 0.00 52.55 53.34 2br4 s ASP 47 Cb 0.13 -1.37 0.25 0.00 -1.38 0.00 0.00 42.92 40.55 2br4 s ASP 47 CO 0.82 -3.55 1.80 0.25 -0.00 0.00 0.00 175.17 174.50 2br4 h LEU 48 N -2.18 0.99 0.00 2.11 5.85 -2.02 -3.46 115.31 116.60 2br4 h LEU 48 Ca -0.50 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.06 2br4 h LEU 48 Cb 1.32 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2br4 h LEU 48 CO 0.48 0.90 0.00 0.61 -0.34 0.00 0.00 178.44 180.08 2br4 n GLY 49 N -0.89 0.53 3.82 3.75 0.00 -1.26 -5.05 105.19 106.08 2br4 n GLY 49 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.03 2br4 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2br4 s TYR 50 N -2.14 -0.15 0.25 1.61 -0.85 -1.26 -4.35 117.35 110.47 2br4 s TYR 50 Ca 0.00 -0.25 -0.31 0.00 -0.52 0.00 0.00 57.07 55.99 2br4 s TYR 50 Cb 0.00 0.69 -0.12 0.00 0.38 0.00 0.00 41.96 42.91 2br4 s TYR 50 CO 0.00 -1.08 1.64 0.45 -1.52 0.00 0.00 175.55 175.04 2br4 n SER 51 N -0.51 3.84 -0.73 -0.18 2.88 -1.26 -4.90 113.62 112.76 2br4 n SER 51 Ca -0.05 1.11 0.05 0.00 -1.33 0.00 0.00 58.87 58.66 2br4 n SER 51 Cb 0.60 -1.57 0.16 0.00 -0.75 0.00 0.00 64.21 62.64 2br4 n SER 51 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2br4 n ASP 52 N 2.88 2.10 0.00 -3.46 5.75 -1.26 -4.68 116.55 117.88 2br4 n ASP 52 Ca 0.12 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 2br4 n ASP 52 Cb 0.35 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 2br4 n ASP 52 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2br4 n PHE 53 N 0.49 0.00 -3.22 2.11 -0.00 -1.26 -4.47 117.46 111.12 2br4 n PHE 53 Ca 0.12 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.34 2br4 n PHE 53 Cb 0.36 -0.26 -0.07 0.00 -0.00 0.00 0.00 39.48 39.52 2br4 n PHE 53 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2br4 n SER 54 N -1.46 -0.53 -0.94 -2.13 2.88 -1.26 -4.98 113.62 105.20 2br4 n SER 54 Ca 0.00 -2.61 0.04 0.00 -1.33 0.00 0.00 58.87 54.97 2br4 n SER 54 Cb 0.00 -0.29 0.17 0.00 -0.75 0.00 0.00 64.21 63.34 2br4 n SER 54 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2br4 n PRO 55 N 2.11 2.40 -3.97 -1.46 -0.04 -1.26 -4.94 135.00 127.84 2br4 n PRO 55 Ca 0.24 -1.36 -0.23 0.00 -0.04 0.00 0.00 63.50 62.11 2br4 n PRO 55 Cb 0.52 -1.63 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 2br4 n PRO 55 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2br4 s TYR 56 N -1.71 3.45 0.16 0.54 1.51 -1.26 -5.00 117.35 115.05 2br4 s TYR 56 Ca 0.24 0.04 -0.18 0.00 -1.01 0.00 0.00 57.07 56.16 2br4 s TYR 56 Cb 0.16 -1.60 0.04 0.00 -0.11 0.00 0.00 41.96 40.44 2br4 s TYR 56 CO 0.10 0.48 0.49 1.14 -1.11 0.00 0.00 175.55 176.65 2br4 s GLN 57 N -3.64 1.25 -0.14 -0.62 -2.07 -1.26 -1.80 119.66 111.37 2br4 s GLN 57 Ca 0.34 -0.75 -0.03 0.00 -1.82 0.00 0.00 55.36 53.10 2br4 s GLN 57 Cb -0.10 0.51 0.05 0.00 -1.09 0.00 0.00 33.01 32.38 2br4 s GLN 57 CO 0.29 -0.52 0.05 -0.46 -1.32 0.00 0.00 175.29 173.33 2br4 s TRP 58 N -3.83 0.50 -1.36 9.60 -0.11 0.76 -4.79 118.94 119.72 2br4 s TRP 58 Ca 0.06 -0.36 -0.00 0.00 1.22 0.00 0.00 56.10 57.01 2br4 s TRP 58 Cb 0.00 -0.78 0.00 0.00 -1.50 0.00 0.00 33.47 31.20 2br4 s TRP 58 CO -0.08 -0.46 0.58 0.54 -4.62 0.00 0.00 176.95 172.91 2br4 n ARG 59 N 5.19 -4.19 -0.91 5.86 1.74 -1.26 -1.49 116.66 121.60 2br4 n ARG 59 Ca -0.07 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 2br4 n ARG 59 Cb 0.49 -4.89 0.00 0.00 -1.02 0.00 0.00 32.46 27.04 2br4 n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br4 n GLY 60 N -1.76 0.82 3.69 -0.13 0.00 -1.26 -5.01 105.19 101.54 2br4 n GLY 60 Ca -0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 2br4 n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2br4 s LEU 61 N 0.00 3.78 0.39 0.99 1.43 -0.55 -4.34 118.68 120.37 2br4 s LEU 61 Ca 0.00 0.16 -0.27 0.00 -1.03 0.00 0.00 54.13 52.99 2br4 s LEU 61 Cb 0.00 -1.91 -0.11 0.00 0.03 0.00 0.00 46.19 44.20 2br4 s LEU 61 CO 0.00 0.30 1.41 0.54 0.23 0.00 0.00 176.35 178.83 2br4 n ARG 62 N 2.70 2.39 -3.97 1.70 1.74 -1.26 -0.17 116.66 119.78 2br4 n ARG 62 Ca -0.18 0.84 -0.30 0.00 -0.77 0.00 0.00 57.85 57.44 2br4 n ARG 62 Cb 0.53 -2.55 -0.16 0.00 -1.02 0.00 0.00 32.46 29.26 2br4 n ARG 62 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2br4 s MET 63 N -2.13 1.89 -0.05 5.56 -1.94 -0.75 -3.44 119.30 118.43 2br4 s MET 63 Ca 0.56 -0.76 0.06 0.00 -1.71 0.00 0.00 55.69 53.85 2br4 s MET 63 Cb -0.49 -2.31 0.28 0.00 2.01 0.00 0.00 34.83 34.32 2br4 s MET 63 CO 0.62 -0.42 1.05 1.28 -0.01 0.00 0.00 175.02 177.53 2br4 n LEU 64 N 4.73 2.27 -4.36 -0.03 4.77 -1.26 -4.31 117.00 118.81 2br4 n LEU 64 Ca -0.14 -1.14 -0.36 0.00 -0.03 0.00 0.00 56.01 54.33 2br4 n LEU 64 Cb 0.47 -0.42 -0.13 0.00 -2.33 0.00 0.00 43.42 41.00 2br4 n LEU 64 CO 0.19 0.38 -0.31 -0.54 -1.33 0.00 0.00 177.39 175.78 2br4 s LYS 65 N -1.64 3.33 0.70 3.23 1.02 -1.26 -5.10 119.74 120.02 2br4 s LYS 65 Ca 0.19 -0.68 -0.08 0.00 0.02 0.00 0.00 55.97 55.42 2br4 s LYS 65 Cb 0.13 -3.23 0.05 0.00 -0.52 0.00 0.00 37.83 34.25 2br4 s LYS 65 CO 0.08 -0.29 1.04 0.16 -0.92 0.00 0.00 175.35 175.42 2br4 s ASP 66 N 1.52 5.02 0.28 2.83 1.47 -1.26 -4.70 116.67 121.83 2br4 s ASP 66 Ca 0.05 0.69 0.02 0.00 1.18 0.00 0.00 52.55 54.49 2br4 s ASP 66 Cb -0.16 -1.40 0.64 0.00 -0.34 0.00 0.00 42.92 41.66 2br4 s ASP 66 CO 0.01 -1.51 1.75 -0.65 0.68 0.00 0.00 175.17 175.45 2br4 h PRO 67 N -0.62 0.58 0.00 2.11 0.11 -1.99 -0.18 132.00 132.02 2br4 h PRO 67 Ca -0.45 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 2br4 h PRO 67 Cb 1.30 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2br4 h PRO 67 CO 0.62 0.38 -0.35 -0.44 -0.21 0.00 0.00 178.00 178.01 2br4 h ASP 68 N 0.59 0.00 -0.21 -2.05 3.32 -1.92 -2.06 116.42 114.09 2br4 h ASP 68 Ca 0.52 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.47 2br4 h ASP 68 Cb 0.84 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 2br4 h ASP 68 CO -0.41 0.35 -0.27 0.74 -1.72 0.00 0.00 179.24 177.92 2br4 h THR 69 N 0.00 1.33 -0.96 0.35 2.02 -1.39 -2.91 112.91 111.35 2br4 h THR 69 Ca -0.00 -1.47 0.09 0.00 0.77 0.00 0.00 66.41 65.80 2br4 h THR 69 Cb 0.67 1.79 -0.07 0.00 -1.74 0.00 0.00 68.15 68.80 2br4 h THR 69 CO 0.04 0.45 0.60 1.56 0.37 0.00 0.00 175.52 178.55 2br4 h GLN 70 N 0.23 1.01 -0.62 6.66 4.20 -0.93 -1.22 115.11 124.43 2br4 h GLN 70 Ca 0.03 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 2br4 h GLN 70 Cb 0.84 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 2br4 h GLN 70 CO 0.06 0.67 0.16 0.00 -0.67 0.00 0.00 178.83 179.05 2br4 h ALA 71 N 1.48 0.82 -0.43 3.87 0.00 -1.33 0.46 119.26 124.13 2br4 h ALA 71 Ca 0.44 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2br4 h ALA 71 Cb 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2br4 h ALA 71 CO -0.22 0.52 0.13 0.28 0.00 0.00 0.00 179.25 179.96 2br4 h VAL 72 N 0.91 1.22 -0.07 0.00 2.07 -1.24 -2.38 116.25 116.76 2br4 h VAL 72 Ca 0.20 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.88 2br4 h VAL 72 Cb 0.34 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2br4 h VAL 72 CO 0.00 0.27 -0.36 1.88 0.02 0.00 0.00 177.57 179.38 2br4 h TYR 73 N 0.56 0.15 0.14 1.57 -1.99 -1.00 -1.11 116.97 115.28 2br4 h TYR 73 Ca 0.14 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.83 2br4 h TYR 73 Cb 0.28 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 38.97 2br4 h TYR 73 CO 0.01 0.48 -0.07 1.25 -0.00 0.00 0.00 178.16 179.83 2br4 h HIS 74 N 0.12 -0.18 -1.00 4.88 2.76 -0.75 -0.91 115.15 120.06 2br4 h HIS 74 Ca 0.01 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.23 2br4 h HIS 74 Cb 0.69 0.06 -0.06 0.00 1.55 0.00 0.00 27.41 29.64 2br4 h HIS 74 CO 0.01 0.09 0.65 -0.44 -1.30 0.00 0.00 177.93 176.94 2br4 h ASP 75 N -0.44 1.07 -0.42 3.26 3.32 -1.34 0.26 116.42 122.13 2br4 h ASP 75 Ca -0.02 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 2br4 h ASP 75 Cb 0.35 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2br4 h ASP 75 CO 0.03 0.71 -0.04 -0.03 -1.72 0.00 0.00 179.24 178.20 2br4 h MET 76 N 1.23 0.76 -0.39 3.56 4.05 -1.13 -1.39 114.93 121.62 2br4 h MET 76 Ca 0.41 -0.26 -0.08 0.00 -0.28 0.00 0.00 59.70 59.49 2br4 h MET 76 Cb 0.06 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 2br4 h MET 76 CO -0.14 0.86 -0.08 -0.07 0.23 0.00 0.00 176.91 177.71 2br4 h LEU 77 N 0.59 0.74 -1.49 3.39 4.07 -0.64 -0.66 115.31 121.31 2br4 h LEU 77 Ca 0.11 -0.36 -0.01 0.00 0.08 0.00 0.00 57.88 57.71 2br4 h LEU 77 Cb 0.54 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 2br4 h LEU 77 CO 0.03 0.92 0.21 -0.25 -1.08 0.00 0.00 178.44 178.27 2br4 h TRP 78 N 0.55 0.54 0.00 1.13 2.91 -0.88 -0.38 115.95 119.82 2br4 h TRP 78 Ca 0.10 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.06 2br4 h TRP 78 Cb 0.59 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 29.06 2br4 h TRP 78 CO 0.05 0.39 -0.32 1.49 -1.03 0.00 0.00 178.44 179.02 2br4 h GLU 79 N 0.56 0.00 -0.08 2.65 4.81 -0.97 -3.38 114.58 118.17 2br4 h GLU 79 Ca 0.14 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.15 2br4 h GLU 79 Cb 0.04 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.43 2br4 h GLU 79 CO -0.02 0.79 -0.85 1.25 -0.73 0.00 0.00 179.01 179.44 2br4 h LEU 80 N -1.00 0.78 -2.89 1.64 6.46 -1.17 -3.48 115.31 115.64 2br4 h LEU 80 Ca -0.08 -0.55 -0.33 0.00 -0.12 0.00 0.00 57.88 56.80 2br4 h LEU 80 Cb 0.89 -0.23 0.12 0.00 -0.73 0.00 0.00 40.66 40.71 2br4 h LEU 80 CO -0.05 1.34 -0.85 0.54 -0.62 0.00 0.00 178.44 178.80 2br4 n ARG 81 N -3.87 -1.62 -2.27 1.25 1.74 -0.15 -4.85 116.66 106.89 2br4 n ARG 81 Ca -0.07 0.70 -0.39 0.00 -0.77 0.00 0.00 57.85 57.31 2br4 n ARG 81 Cb 0.78 -4.83 -0.02 0.00 -1.02 0.00 0.00 32.46 27.37 2br4 n ARG 81 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2br4 s PRO 82 N -5.13 4.18 0.12 5.56 0.04 -1.26 -4.63 135.00 133.88 2br4 s PRO 82 Ca 0.42 1.92 0.20 0.00 0.04 0.00 0.00 61.00 63.59 2br4 s PRO 82 Cb -0.11 -2.82 -0.09 0.00 0.04 0.00 0.00 34.50 31.52 2br4 s PRO 82 CO 0.81 -0.24 0.89 0.54 0.04 0.00 0.00 177.00 179.04 2br4 n ARG 83 N 0.35 0.62 -4.00 4.56 5.12 0.11 -4.53 116.66 118.90 2br4 n ARG 83 Ca 0.03 0.12 -0.16 0.00 -1.93 0.00 0.00 57.85 55.90 2br4 n ARG 83 Cb 0.45 -1.78 -0.16 0.00 -1.16 0.00 0.00 32.46 29.81 2br4 n ARG 83 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2br4 s THR 84 N -3.22 0.25 -0.16 0.55 2.01 -1.14 -1.22 115.64 112.71 2br4 s THR 84 Ca -0.02 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 61.97 2br4 s THR 84 Cb 0.10 -0.29 0.01 0.00 0.01 0.00 0.00 72.50 72.33 2br4 s THR 84 CO 0.81 0.13 -0.20 -0.63 -0.69 0.00 0.00 174.62 174.05 2br4 s ILE 85 N 0.64 2.19 -0.16 1.82 1.01 -0.60 -1.84 121.20 124.26 2br4 s ILE 85 Ca -0.07 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.62 2br4 s ILE 85 Cb -0.10 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 2br4 s ILE 85 CO -0.01 0.54 0.01 -0.69 0.00 0.00 0.00 174.94 174.79 2br4 s VAL 86 N 1.06 4.36 -0.14 2.92 1.01 -0.08 -0.24 120.40 129.29 2br4 s VAL 86 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.78 2br4 s VAL 86 Cb -0.14 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.33 2br4 s VAL 86 CO -0.07 0.50 -0.13 -0.70 0.00 0.00 0.00 175.10 174.70 2br4 s GLU 87 N 0.19 2.14 -0.08 2.72 2.12 0.11 -0.98 118.70 124.91 2br4 s GLU 87 Ca 0.01 -0.51 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 2br4 s GLU 87 Cb -0.13 -2.02 -0.02 0.00 0.26 0.00 0.00 34.13 32.23 2br4 s GLU 87 CO 0.02 -0.25 1.02 -0.51 -0.54 0.00 0.00 175.26 175.00 2br4 s LEU 88 N 1.53 4.27 0.00 2.70 1.02 -0.05 -1.55 118.68 126.60 2br4 s LEU 88 Ca 0.05 1.58 0.00 0.00 0.02 0.00 0.00 54.13 55.78 2br4 s LEU 88 Cb -0.13 -3.56 0.00 0.00 0.02 0.00 0.00 46.19 42.52 2br4 s LEU 88 CO -0.10 -0.43 0.00 0.61 0.02 0.00 0.00 176.35 176.45 2br4 n GLY 89 N 3.08 -1.76 0.13 -3.19 0.00 0.03 -0.99 105.19 102.50 2br4 n GLY 89 Ca 0.08 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 2br4 n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2br4 n VAL 90 N 0.64 1.52 0.00 1.61 0.31 -1.25 -4.84 118.33 116.32 2br4 n VAL 90 Ca 0.00 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 2br4 n VAL 90 Cb 0.00 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.25 2br4 n VAL 90 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2br4 n TYR 91 N -3.80 0.00 0.96 3.52 9.36 -1.26 -1.88 117.16 124.05 2br4 n TYR 91 Ca -0.50 0.00 0.12 0.00 3.32 0.00 0.00 57.90 60.84 2br4 n TYR 91 Cb 0.93 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 39.84 2br4 n TYR 91 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2br4 n ASN 92 N 9.27 0.56 0.00 2.98 6.94 -1.26 -1.82 115.26 131.93 2br4 n ASN 92 Ca 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 54.58 54.26 2br4 n ASN 92 Cb 0.00 0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.76 2br4 n ASN 92 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2br4 n GLY 93 N 1.49 0.80 0.20 4.83 0.00 -0.79 -1.70 105.19 110.03 2br4 n GLY 93 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 2br4 n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2br4 h GLY 94 N 0.00 0.33 2.00 -0.02 0.00 -1.80 -1.73 103.07 101.86 2br4 h GLY 94 Ca 0.00 0.17 -0.10 0.00 0.00 0.00 0.00 47.33 47.40 2br4 h GLY 94 CO 0.00 -0.19 -0.47 1.48 0.00 0.00 0.00 176.54 177.36 2br4 h SER 95 N -0.01 0.00 -0.15 0.19 4.64 -1.88 -1.84 113.55 114.50 2br4 h SER 95 Ca 0.24 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 2br4 h SER 95 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2br4 h SER 95 CO -0.51 0.47 0.06 -0.07 -0.87 0.00 0.00 176.83 175.91 2br4 h LEU 96 N 0.00 0.20 -1.21 5.97 4.07 -1.70 -0.12 115.31 122.52 2br4 h LEU 96 Ca -0.00 -0.15 -0.07 0.00 0.08 0.00 0.00 57.88 57.74 2br4 h LEU 96 Cb 0.87 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.54 2br4 h LEU 96 CO 0.06 0.29 -0.18 0.00 -1.08 0.00 0.00 178.44 177.54 2br4 h ALA 97 N 0.91 1.34 -0.03 1.53 0.00 -1.28 -1.98 119.26 119.76 2br4 h ALA 97 Ca 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2br4 h ALA 97 Cb 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2br4 h ALA 97 CO -0.00 0.45 -0.05 2.35 0.00 0.00 0.00 179.25 181.99 2br4 h TRP 98 N 0.30 0.10 -0.82 0.00 7.01 -1.13 -0.54 115.95 120.88 2br4 h TRP 98 Ca 0.05 -0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.03 2br4 h TRP 98 Cb 0.50 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.49 2br4 h TRP 98 CO 0.01 0.64 0.54 0.74 -2.79 0.00 0.00 178.44 177.58 2br4 h PHE 99 N -0.46 1.02 -0.44 2.65 0.05 -0.99 0.11 116.94 118.88 2br4 h PHE 99 Ca 0.00 0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.77 2br4 h PHE 99 Cb 0.64 -0.34 -0.02 0.00 2.00 0.00 0.00 35.95 38.23 2br4 h PHE 99 CO 0.12 0.62 0.11 -0.09 -0.18 0.00 0.00 178.31 178.90 2br4 h ARG 100 N 1.08 0.70 -0.32 1.51 1.12 -1.33 -2.08 114.38 115.05 2br4 h ARG 100 Ca 0.31 -0.17 -0.05 0.00 -1.11 0.00 0.00 59.98 58.97 2br4 h ARG 100 Cb -0.08 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 29.78 2br4 h ARG 100 CO -0.08 0.70 0.00 -0.44 -3.11 0.00 0.00 179.97 177.04 2br4 h ASP 101 N 0.57 0.55 -0.40 -3.80 3.32 -0.54 -1.51 116.42 114.61 2br4 h ASP 101 Ca 0.14 -0.30 -0.11 0.00 0.02 0.00 0.00 57.03 56.77 2br4 h ASP 101 Cb 0.31 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2br4 h ASP 101 CO 0.00 0.72 -0.15 -0.07 -1.72 0.00 0.00 179.24 178.02 2br4 h LEU 102 N 0.37 0.88 -0.67 1.55 4.07 -0.75 -0.99 115.31 119.77 2br4 h LEU 102 Ca 0.09 -0.30 -0.12 0.00 0.08 0.00 0.00 57.88 57.64 2br4 h LEU 102 Cb 0.44 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 2br4 h LEU 102 CO 0.02 1.03 -0.23 0.71 -1.08 0.00 0.00 178.44 178.89 2br4 h THR 103 N 0.78 1.27 -0.39 0.22 1.35 -1.37 -2.79 112.91 111.99 2br4 h THR 103 Ca 0.12 -1.35 -0.05 0.00 -0.55 0.00 0.00 66.41 64.58 2br4 h THR 103 Cb 0.68 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 2br4 h THR 103 CO 0.05 0.45 0.04 0.50 -0.25 0.00 0.00 175.52 176.31 2br4 h LYS 104 N 0.68 0.66 0.00 4.72 3.64 -0.74 -0.46 116.57 125.07 2br4 h LYS 104 Ca 0.09 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2br4 h LYS 104 Cb 0.75 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2br4 h LYS 104 CO 0.06 0.73 0.00 1.51 -2.27 0.00 0.00 179.45 179.48 2br4 n ILE 105 N -4.50 0.71 1.31 2.00 0.13 -0.42 -1.78 119.36 116.80 2br4 n ILE 105 Ca -0.01 0.01 0.13 0.00 -1.10 0.00 0.00 62.75 61.78 2br4 n ILE 105 Cb 0.25 -0.90 0.47 0.00 -0.84 0.00 0.00 39.64 38.63 2br4 n ILE 105 CO 0.00 0.00 0.00 0.23 2.80 0.00 0.00 176.55 179.58 2br4 n MET 106 N -2.22 0.81 -1.04 9.51 2.81 -1.05 -4.94 117.12 121.01 2br4 n MET 106 Ca 0.04 -0.41 -0.01 0.00 -1.81 0.00 0.00 57.70 55.50 2br4 n MET 106 Cb 0.32 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.33 2br4 n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2br4 n GLY 107 N 1.31 0.51 3.74 3.03 0.00 -0.74 -5.02 105.19 108.02 2br4 n GLY 107 Ca 0.13 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 2br4 n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2br4 s ILE 108 N -1.99 5.08 -0.78 -0.61 1.01 -0.21 -5.02 121.20 118.68 2br4 s ILE 108 Ca 0.00 1.11 -0.24 0.00 0.00 0.00 0.00 60.65 61.52 2br4 s ILE 108 Cb 0.00 -3.88 0.06 0.00 0.01 0.00 0.00 42.46 38.65 2br4 s ILE 108 CO 0.00 0.35 1.18 -0.62 0.00 0.00 0.00 174.94 175.85 2br4 s ASP 109 N 0.34 6.27 -0.13 3.58 2.15 -1.26 -4.13 116.67 123.49 2br4 s ASP 109 Ca 0.29 -0.97 -0.01 0.00 0.43 0.00 0.00 52.55 52.30 2br4 s ASP 109 Cb -0.16 -2.49 0.03 0.00 -0.30 0.00 0.00 42.92 39.99 2br4 s ASP 109 CO 0.14 -1.57 -0.06 0.00 -0.17 0.00 0.00 175.17 173.51 2br4 s GLN 111 N 1.71 4.51 -0.21 0.00 -1.52 -0.36 -4.94 119.66 118.86 2br4 s GLN 111 Ca 0.04 1.32 -0.09 0.00 -1.95 0.00 0.00 55.36 54.68 2br4 s GLN 111 Cb -0.13 -3.47 -0.05 0.00 -0.22 0.00 0.00 33.01 29.14 2br4 s GLN 111 CO -0.08 -0.08 0.11 0.08 -0.25 0.00 0.00 175.29 175.07 2br4 s VAL 112 N 1.16 5.11 -0.12 1.09 1.01 -0.60 -1.55 120.40 126.51 2br4 s VAL 112 Ca 0.49 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.59 2br4 s VAL 112 Cb -0.20 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.84 2br4 s VAL 112 CO 0.25 0.42 -0.22 -0.63 0.00 0.00 0.00 175.10 174.91 2br4 s ILE 113 N 0.60 2.15 -0.08 2.22 1.01 0.67 -1.69 121.20 126.08 2br4 s ILE 113 Ca 0.06 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 59.77 2br4 s ILE 113 Cb -0.12 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 2br4 s ILE 113 CO 0.01 0.55 -0.17 -0.83 0.00 0.00 0.00 174.94 174.50 2br4 s GLY 114 N 0.52 1.47 -0.03 6.18 0.00 0.19 -0.71 107.32 114.93 2br4 s GLY 114 Ca -0.14 -0.96 0.07 0.00 0.00 0.00 0.00 44.72 43.68 2br4 s GLY 114 CO 0.05 -0.51 -0.23 -0.42 0.00 0.00 0.00 173.10 171.99 2br4 s ILE 115 N -0.15 1.80 -0.18 0.90 1.01 -0.60 -0.48 121.20 123.50 2br4 s ILE 115 Ca -0.02 -0.96 -0.29 0.00 0.00 0.00 0.00 60.65 59.38 2br4 s ILE 115 Cb -0.14 -1.50 0.12 0.00 0.01 0.00 0.00 42.46 40.96 2br4 s ILE 115 CO 0.04 0.51 1.00 -0.62 0.00 0.00 0.00 174.94 175.86 2br4 s ASP 116 N -0.43 -0.39 0.39 3.58 -1.08 -0.84 -0.79 116.67 117.11 2br4 s ASP 116 Ca 0.06 0.51 0.25 0.00 -0.52 0.00 0.00 52.55 52.85 2br4 s ASP 116 Cb -0.10 0.43 0.64 0.00 -1.46 0.00 0.00 42.92 42.44 2br4 s ASP 116 CO 0.00 -0.31 1.71 0.08 0.52 0.00 0.00 175.17 177.17 2br4 h ARG 117 N 2.92 0.00 -2.88 4.34 0.11 -1.79 -0.67 114.38 116.41 2br4 h ARG 117 Ca -0.21 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.34 2br4 h ARG 117 Cb 1.16 0.00 -0.40 0.00 1.11 0.00 0.00 29.97 31.84 2br4 h ARG 117 CO 0.27 0.00 -0.78 0.34 0.10 0.00 0.00 179.97 179.90 2br4 s ASP 118 N -5.60 3.54 0.00 0.08 2.15 -1.26 -4.63 116.67 110.95 2br4 s ASP 118 Ca 0.07 -1.30 0.27 0.00 0.43 0.00 0.00 52.55 52.02 2br4 s ASP 118 Cb 0.08 -0.40 0.85 0.00 -0.30 0.00 0.00 42.92 43.15 2br4 s ASP 118 CO 0.62 -0.43 1.63 0.18 -0.17 0.00 0.00 175.17 176.99 2br4 n LEU 119 N 5.21 1.21 0.17 -1.34 4.77 -1.26 -4.28 117.00 121.48 2br4 n LEU 119 Ca -0.06 -0.35 0.12 0.00 -0.03 0.00 0.00 56.01 55.69 2br4 n LEU 119 Cb 0.42 -0.08 0.61 0.00 -2.33 0.00 0.00 43.42 42.04 2br4 n LEU 119 CO 0.05 0.22 0.87 0.77 -1.33 0.00 0.00 177.39 177.96 2br4 h SER 120 N 1.65 0.00 0.19 -1.43 4.64 -1.93 -2.03 113.55 114.63 2br4 h SER 120 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2br4 h SER 120 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2br4 h SER 120 CO 0.00 0.00 -0.78 0.54 -0.87 0.00 0.00 176.83 175.72 2br4 n ARG 121 N -2.34 0.07 -1.98 4.77 1.74 -1.26 -4.94 116.66 112.72 2br4 n ARG 121 Ca -0.01 -0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.61 2br4 n ARG 121 Cb 0.10 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.02 2br4 n ARG 121 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2br4 n GLN 123 N 0.79 0.26 -2.62 0.00 6.02 -0.69 -4.98 117.38 116.15 2br4 n GLN 123 Ca 0.01 -1.47 -0.43 0.00 -0.01 0.00 0.00 57.00 55.10 2br4 n GLN 123 Cb 0.41 -0.62 -0.02 0.00 1.02 0.00 0.00 30.24 31.02 2br4 n GLN 123 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2br4 s ILE 124 N -0.56 4.56 0.46 5.09 1.01 -1.26 -5.00 121.20 125.50 2br4 s ILE 124 Ca 0.11 1.85 -0.25 0.00 0.00 0.00 0.00 60.65 62.37 2br4 s ILE 124 Cb 0.11 -4.31 -0.08 0.00 0.01 0.00 0.00 42.46 38.19 2br4 s ILE 124 CO -0.02 -0.29 1.35 -0.81 0.00 0.00 0.00 174.94 175.17 2br4 n PRO 125 N 6.58 2.02 0.09 2.79 -0.04 -1.26 -4.88 135.00 140.30 2br4 n PRO 125 Ca 0.12 0.72 0.16 0.00 -0.04 0.00 0.00 63.50 64.46 2br4 n PRO 125 Cb 0.46 -2.52 0.67 0.00 -0.04 0.00 0.00 33.50 32.07 2br4 n PRO 125 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2br4 h ALA 126 N 2.06 2.31 0.00 0.55 0.00 -1.99 0.68 119.26 122.87 2br4 h ALA 126 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2br4 h ALA 126 Cb 1.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2br4 h ALA 126 CO 0.60 -0.41 0.00 0.66 0.00 0.00 0.00 179.25 180.10 2br4 h SER 127 N 0.01 0.00 -0.08 0.00 4.64 -2.03 -2.51 113.55 113.58 2br4 h SER 127 Ca 0.16 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 2br4 h SER 127 Cb 0.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 2br4 h SER 127 CO -0.00 0.00 -0.29 0.47 -0.87 0.00 0.00 176.83 176.13 2br4 n ASP 128 N -2.83 2.09 -0.62 4.97 8.00 0.23 -4.73 116.55 123.67 2br4 n ASP 128 Ca -0.02 -3.68 0.06 0.00 0.71 0.00 0.00 54.79 51.86 2br4 n ASP 128 Cb 0.08 -0.53 0.13 0.00 -0.02 0.00 0.00 41.12 40.77 2br4 n ASP 128 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2br4 n MET 129 N -1.16 2.17 -1.62 -1.24 2.81 -0.95 -4.87 117.12 112.28 2br4 n MET 129 Ca 0.21 -1.81 -0.45 0.00 -1.81 0.00 0.00 57.70 53.83 2br4 n MET 129 Cb 0.76 -1.27 -0.02 0.00 -0.71 0.00 0.00 33.22 31.98 2br4 n MET 129 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2br4 n GLU 130 N 0.61 1.55 -2.59 0.03 2.13 -1.26 -1.90 120.64 119.21 2br4 n GLU 130 Ca 0.11 0.55 -0.21 0.00 0.66 0.00 0.00 57.16 58.26 2br4 n GLU 130 Cb 0.39 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 30.07 2br4 n GLU 130 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2br4 n ASN 131 N 1.59 -5.97 -3.98 4.31 3.02 -1.26 -4.98 115.26 107.98 2br4 n ASN 131 Ca 0.11 -0.10 -0.23 0.00 -0.03 0.00 0.00 54.58 54.33 2br4 n ASN 131 Cb 0.30 -4.93 -0.16 0.00 -0.61 0.00 0.00 39.78 34.38 2br4 n ASN 131 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2br4 s ILE 132 N -3.08 0.95 -0.16 2.41 1.01 -0.80 -1.55 121.20 119.99 2br4 s ILE 132 Ca 0.09 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.38 2br4 s ILE 132 Cb -0.04 -0.89 0.02 0.00 0.01 0.00 0.00 42.46 41.56 2br4 s ILE 132 CO 0.11 0.32 -0.15 -0.89 0.00 0.00 0.00 174.94 174.33 2br4 s THR 133 N 0.74 1.69 0.05 2.92 2.01 -0.68 -5.02 115.64 117.35 2br4 s THR 133 Ca -0.14 -0.74 -0.08 0.00 0.31 0.00 0.00 61.69 61.04 2br4 s THR 133 Cb -0.15 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.71 2br4 s THR 133 CO 0.03 0.44 0.34 -0.76 -0.69 0.00 0.00 174.62 173.98 2br4 s LEU 134 N 1.43 4.36 -0.03 4.42 1.02 -1.26 -0.64 118.68 127.98 2br4 s LEU 134 Ca 0.04 0.67 0.02 0.00 0.02 0.00 0.00 54.13 54.88 2br4 s LEU 134 Cb -0.13 -2.85 0.01 0.00 0.02 0.00 0.00 46.19 43.24 2br4 s LEU 134 CO -0.11 0.20 -0.06 -1.00 0.02 0.00 0.00 176.35 175.41 2br4 s HIS 135 N -1.36 0.78 -0.05 0.29 3.76 0.37 -4.94 115.29 114.15 2br4 s HIS 135 Ca 0.31 -0.20 -0.13 0.00 -0.15 0.00 0.00 55.06 54.88 2br4 s HIS 135 Cb -0.14 -0.63 -0.05 0.00 1.11 0.00 0.00 32.58 32.88 2br4 s HIS 135 CO 0.18 -0.14 0.34 -1.14 -0.85 0.00 0.00 174.74 173.13 2br4 s GLN 136 N 0.56 3.87 0.00 1.40 0.74 -1.26 -1.98 119.66 123.00 2br4 s GLN 136 Ca -0.08 0.27 0.00 0.00 0.05 0.00 0.00 55.36 55.60 2br4 s GLN 136 Cb -0.11 -3.24 0.00 0.00 1.10 0.00 0.00 33.01 30.75 2br4 s GLN 136 CO 0.00 0.64 0.00 0.41 -0.55 0.00 0.00 175.29 175.80 2br4 n GLY 137 N 2.07 2.79 3.75 2.59 0.00 -0.26 -4.91 105.19 111.22 2br4 n GLY 137 Ca -0.15 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 2br4 n GLY 137 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2br4 s ASP 138 N 0.00 7.40 0.26 1.61 -1.08 -1.26 -2.51 116.67 121.09 2br4 s ASP 138 Ca 0.00 1.67 0.07 0.00 -0.52 0.00 0.00 52.55 53.76 2br4 s ASP 138 Cb 0.00 -2.53 0.33 0.00 -1.46 0.00 0.00 42.92 39.26 2br4 s ASP 138 CO 0.00 0.06 1.61 0.00 0.52 0.00 0.00 175.17 177.36 2br4 h SER 140 N 0.13 0.00 -3.59 0.00 0.87 -1.93 -3.40 113.55 105.63 2br4 h SER 140 Ca -0.00 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.91 2br4 h SER 140 Cb 1.03 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 62.76 2br4 h SER 140 CO 0.08 0.00 -0.64 -0.62 -0.53 0.00 0.00 176.83 175.13 2br4 s ASP 141 N -4.76 5.04 0.46 6.23 2.15 -0.99 -4.99 116.67 119.81 2br4 s ASP 141 Ca -0.04 -0.22 0.31 0.00 0.43 0.00 0.00 52.55 53.04 2br4 s ASP 141 Cb 0.11 -1.90 1.37 0.00 -0.30 0.00 0.00 42.92 42.20 2br4 s ASP 141 CO 0.34 -0.02 1.93 -0.07 -0.17 0.00 0.00 175.17 177.18 2br4 h LEU 142 N 8.11 0.00 -1.49 -1.34 3.38 -1.83 -2.77 115.31 119.38 2br4 h LEU 142 Ca -0.38 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 2br4 h LEU 142 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2br4 h LEU 142 CO 0.59 0.00 -0.25 0.71 0.09 0.00 0.00 178.44 179.58 2br4 h THR 143 N 0.00 0.86 -1.01 0.22 1.35 -1.94 -2.13 112.91 110.26 2br4 h THR 143 Ca 0.00 -0.95 0.24 0.00 -0.55 0.00 0.00 66.41 65.15 2br4 h THR 143 Cb 0.37 1.57 -0.10 0.00 -1.73 0.00 0.00 68.15 68.26 2br4 h THR 143 CO 0.00 0.24 0.64 0.74 -0.25 0.00 0.00 175.52 176.89 2br4 h THR 144 N 0.00 0.57 0.01 6.82 2.02 -1.74 -2.73 112.91 117.86 2br4 h THR 144 Ca -0.00 -0.17 -0.32 0.00 0.77 0.00 0.00 66.41 66.69 2br4 h THR 144 Cb 0.55 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 66.94 2br4 h THR 144 CO 0.03 0.09 -1.91 0.49 0.37 0.00 0.00 175.52 174.59 2br4 n PHE 145 N -4.68 0.74 0.27 3.16 3.01 -0.84 -4.19 117.46 114.92 2br4 n PHE 145 Ca 0.25 0.26 0.14 0.00 1.01 0.00 0.00 57.45 59.11 2br4 n PHE 145 Cb 0.78 -1.13 0.72 0.00 -0.01 0.00 0.00 39.48 39.84 2br4 n PHE 145 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2br4 h GLU 146 N 0.00 0.00 -0.12 -1.08 5.08 -1.18 -2.72 114.58 114.56 2br4 h GLU 146 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2br4 h GLU 146 Cb 2.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.32 2br4 h GLU 146 CO 0.06 0.11 0.00 0.72 -1.00 0.00 0.00 179.01 178.90 2br4 n HIS 147 N -3.42 0.15 -2.68 4.33 8.25 -1.06 -4.90 115.22 115.90 2br4 n HIS 147 Ca -0.01 -0.08 -0.37 0.00 -0.26 0.00 0.00 57.72 57.01 2br4 n HIS 147 Cb 0.27 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.33 2br4 n HIS 147 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2br4 s LEU 148 N -1.69 4.24 0.88 2.41 1.43 -1.03 -5.05 118.68 119.86 2br4 s LEU 148 Ca 0.34 1.92 -0.10 0.00 -1.03 0.00 0.00 54.13 55.26 2br4 s LEU 148 Cb 0.18 -4.11 0.18 0.00 0.03 0.00 0.00 46.19 42.47 2br4 s LEU 148 CO 0.28 -0.26 1.20 -0.13 0.23 0.00 0.00 176.35 177.68 2br4 s ARG 149 N -2.30 0.97 0.32 1.70 1.81 -1.26 -5.01 118.95 115.18 2br4 s ARG 149 Ca 0.54 -0.73 -0.29 0.00 -1.72 0.00 0.00 55.73 53.52 2br4 s ARG 149 Cb -0.20 -2.03 -0.11 0.00 -0.45 0.00 0.00 34.95 32.16 2br4 s ARG 149 CO 0.25 -2.08 1.49 -2.00 -0.68 0.00 0.00 175.30 172.27 2br4 s GLU 150 N -5.61 4.18 0.04 3.54 2.56 -1.26 -5.02 118.70 117.13 2br4 s GLU 150 Ca 0.72 2.47 0.09 0.00 0.00 0.00 0.00 54.97 58.24 2br4 s GLU 150 Cb -0.04 -3.03 -0.03 0.00 2.00 0.00 0.00 34.13 33.03 2br4 s GLU 150 CO 0.50 -0.50 -0.24 -1.64 -0.56 0.00 0.00 175.26 172.82 2br4 s MET 151 N -1.16 1.89 0.54 4.30 -1.94 -1.26 -5.13 119.30 116.53 2br4 s MET 151 Ca 0.57 -1.07 -0.18 0.00 -1.71 0.00 0.00 55.69 53.30 2br4 s MET 151 Cb -0.45 -2.04 -0.06 0.00 2.01 0.00 0.00 34.83 34.29 2br4 s MET 151 CO 0.53 0.52 1.06 0.00 -0.01 0.00 0.00 175.02 177.12 2br4 s ALA 152 N -0.83 2.79 0.25 3.03 0.00 -1.26 -5.07 121.76 120.67 2br4 s ALA 152 Ca 0.12 0.55 0.11 0.00 0.00 0.00 0.00 51.96 52.75 2br4 s ALA 152 Cb -0.10 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 2br4 s ALA 152 CO 0.03 -0.58 -0.17 -1.01 0.00 0.00 0.00 175.76 174.03 2br4 s HIS 153 N -2.14 2.39 0.82 0.00 3.76 -1.26 -3.76 115.29 115.11 2br4 s HIS 153 Ca 0.67 -0.31 -0.11 0.00 -0.15 0.00 0.00 55.06 55.16 2br4 s HIS 153 Cb -0.17 -1.09 0.09 0.00 1.11 0.00 0.00 32.58 32.51 2br4 s HIS 153 CO 0.28 0.63 1.09 -2.14 -0.85 0.00 0.00 174.74 173.75 2br4 s PRO 154 N -3.26 1.85 0.04 8.40 0.02 -1.26 -4.55 135.00 136.24 2br4 s PRO 154 Ca 0.27 0.90 0.03 0.00 0.02 0.00 0.00 61.00 62.22 2br4 s PRO 154 Cb -0.06 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 2br4 s PRO 154 CO 0.15 -1.85 -0.09 -1.17 -0.33 0.00 0.00 177.00 173.71 2br4 s LEU 155 N -5.99 2.22 -0.18 -5.54 0.20 -1.26 -0.71 118.68 107.42 2br4 s LEU 155 Ca 0.62 -0.50 0.00 0.00 0.69 0.00 0.00 54.13 54.94 2br4 s LEU 155 Cb -0.17 -0.25 0.04 0.00 -0.43 0.00 0.00 46.19 45.39 2br4 s LEU 155 CO 0.56 -0.14 -0.09 -0.63 -0.29 0.00 0.00 176.35 175.76 2br4 s ILE 156 N -1.19 1.42 -0.21 6.68 1.01 -0.77 -1.74 121.20 126.41 2br4 s ILE 156 Ca -0.07 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.70 2br4 s ILE 156 Cb -0.09 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 2br4 s ILE 156 CO 0.01 0.18 0.02 0.12 0.00 0.00 0.00 174.94 175.27 2br4 s PHE 157 N 1.50 3.07 -0.19 3.97 5.36 -0.45 -0.91 117.98 130.34 2br4 s PHE 157 Ca 0.00 -0.38 0.01 0.00 -0.96 0.00 0.00 56.93 55.59 2br4 s PHE 157 Cb -0.15 -2.12 0.04 0.00 -0.34 0.00 0.00 43.02 40.45 2br4 s PHE 157 CO -0.08 -0.22 -0.09 0.42 -1.46 0.00 0.00 175.22 173.79 2br4 s ILE 158 N 1.07 1.53 -0.43 3.12 1.01 -0.15 -0.94 121.20 126.40 2br4 s ILE 158 Ca 0.03 -0.94 -0.26 0.00 0.00 0.00 0.00 60.65 59.47 2br4 s ILE 158 Cb -0.14 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.72 2br4 s ILE 158 CO 0.02 0.15 0.98 -0.62 0.00 0.00 0.00 174.94 175.47 2br4 s ASP 159 N 1.45 6.60 0.00 3.58 3.68 0.08 -0.87 116.67 131.19 2br4 s ASP 159 Ca -0.01 0.38 0.00 0.00 2.13 0.00 0.00 52.55 55.05 2br4 s ASP 159 Cb -0.16 -2.48 0.00 0.00 -1.45 0.00 0.00 42.92 38.83 2br4 s ASP 159 CO -0.08 -1.02 0.80 0.47 0.13 0.00 0.00 175.17 175.46 2br4 n ASP 160 N 7.17 1.46 -0.05 -0.34 9.92 -0.16 -1.98 116.55 132.57 2br4 n ASP 160 Ca 0.08 -1.64 -0.03 0.00 -0.53 0.00 0.00 54.79 52.68 2br4 n ASP 160 Cb 0.48 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.81 2br4 n ASP 160 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2br4 n ALA 161 N -0.32 1.93 -0.95 2.24 0.00 -1.02 -4.62 120.51 117.76 2br4 n ALA 161 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.48 2br4 n ALA 161 Cb 0.24 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2br4 n ALA 161 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2br4 n HIS 162 N -2.65 0.00 -4.32 0.00 8.25 -1.26 -5.00 115.22 110.24 2br4 n HIS 162 Ca -0.20 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 56.91 2br4 n HIS 162 Cb 0.94 -0.79 -0.10 0.00 1.12 0.00 0.00 29.99 31.16 2br4 n HIS 162 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2br4 s ALA 163 N -1.83 3.27 -1.37 -1.41 0.00 -1.26 -4.55 121.76 114.59 2br4 s ALA 163 Ca 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.12 2br4 s ALA 163 Cb 0.00 -1.56 0.02 0.00 0.00 0.00 0.00 23.12 21.59 2br4 s ALA 163 CO 0.00 0.48 0.35 -1.71 0.00 0.00 0.00 175.76 174.88 2br4 n ASN 164 N 2.54 -4.79 -0.14 0.00 4.05 -1.26 -4.57 115.26 111.09 2br4 n ASN 164 Ca -0.18 -0.17 -0.07 0.00 0.45 0.00 0.00 54.58 54.61 2br4 n ASN 164 Cb 0.53 -3.95 0.02 0.00 1.23 0.00 0.00 39.78 37.61 2br4 n ASN 164 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 2br4 h THR 165 N -0.75 1.04 -0.05 -0.44 2.02 -1.94 -2.47 112.91 110.31 2br4 h THR 165 Ca -0.44 -0.17 -0.13 0.00 0.77 0.00 0.00 66.41 66.45 2br4 h THR 165 Cb 1.31 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2br4 h THR 165 CO 0.50 0.09 -0.54 -0.26 0.37 0.00 0.00 175.52 175.69 2br4 h PHE 166 N 0.50 0.19 -0.16 3.16 -1.00 -1.98 -0.50 116.94 117.16 2br4 h PHE 166 Ca 0.17 -0.06 -0.13 0.00 2.81 0.00 0.00 57.97 60.76 2br4 h PHE 166 Cb 0.02 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 2br4 h PHE 166 CO -0.07 0.66 -0.45 -0.91 -1.61 0.00 0.00 178.31 175.92 2br4 h ASN 167 N 0.12 0.41 -0.10 2.17 2.35 -1.92 -1.80 115.58 116.81 2br4 h ASN 167 Ca -0.00 -0.19 -0.14 0.00 -0.55 0.00 0.00 56.30 55.42 2br4 h ASN 167 Cb 0.99 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 2br4 h ASN 167 CO 0.08 0.81 -0.42 0.40 -1.65 0.00 0.00 177.43 176.64 2br4 h ILE 168 N 0.31 1.30 -0.26 2.81 2.04 -1.07 -1.59 117.51 121.04 2br4 h ILE 168 Ca 0.02 -1.61 -0.11 0.00 1.00 0.00 0.00 64.86 64.16 2br4 h ILE 168 Cb 0.92 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 2br4 h ILE 168 CO 0.08 0.51 -0.31 -0.03 0.00 0.00 0.00 178.15 178.40 2br4 h MET 169 N 0.52 0.55 -0.40 2.37 4.05 -0.99 -0.58 114.93 120.45 2br4 h MET 169 Ca 0.04 -0.24 -0.02 0.00 -0.28 0.00 0.00 59.70 59.20 2br4 h MET 169 Cb 0.95 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.72 2br4 h MET 169 CO 0.09 0.80 0.18 -0.22 0.23 0.00 0.00 176.91 177.98 2br4 h LYS 170 N 0.47 0.58 -0.44 0.39 3.64 -1.13 -1.73 116.57 118.36 2br4 h LYS 170 Ca 0.06 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2br4 h LYS 170 Cb 0.77 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 2br4 h LYS 170 CO 0.06 0.53 0.23 2.35 -2.27 0.00 0.00 179.45 180.35 2br4 h TRP 171 N 0.50 0.61 -0.71 1.91 7.01 -0.98 -2.79 115.95 121.50 2br4 h TRP 171 Ca 0.13 -0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.08 2br4 h TRP 171 Cb 0.15 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 26.98 2br4 h TRP 171 CO -0.01 0.47 0.30 0.00 -2.79 0.00 0.00 178.44 176.41 2br4 h ALA 172 N 1.08 1.19 -0.63 2.65 0.00 -0.94 -0.64 119.26 121.97 2br4 h ALA 172 Ca 0.15 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2br4 h ALA 172 Cb 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2br4 h ALA 172 CO -0.02 0.59 0.19 0.28 0.00 0.00 0.00 179.25 180.29 2br4 h VAL 173 N 1.02 1.25 0.00 0.00 2.07 -1.15 0.84 116.25 120.28 2br4 h VAL 173 Ca 0.24 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 2br4 h VAL 173 Cb 0.16 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2br4 h VAL 173 CO -0.02 0.33 -0.71 0.44 0.02 0.00 0.00 177.57 177.63 2br4 h ASP 174 N 0.92 0.00 0.00 0.57 3.32 -1.22 -3.40 116.42 116.60 2br4 h ASP 174 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 2br4 h ASP 174 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2br4 h ASP 174 CO -0.00 0.27 0.00 1.41 -1.72 0.00 0.00 179.24 179.19 2br4 n HIS 175 N -2.98 0.00 0.07 4.55 8.25 -0.27 -4.98 115.22 119.85 2br4 n HIS 175 Ca -0.01 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2br4 n HIS 175 Cb 0.66 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.75 2br4 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2br4 n LEU 176 N -0.18 -0.75 -4.68 2.41 7.94 -0.47 -4.98 117.00 116.29 2br4 n LEU 176 Ca 0.00 0.24 -0.45 0.00 -1.11 0.00 0.00 56.01 54.69 2br4 n LEU 176 Cb 0.29 0.90 -0.04 0.00 0.53 0.00 0.00 43.42 45.10 2br4 n LEU 176 CO 0.00 -0.41 1.38 0.18 -1.11 0.00 0.00 177.39 177.42 2br4 n LEU 177 N -2.83 3.62 -4.77 -1.96 4.77 0.17 -5.01 117.00 110.99 2br4 n LEU 177 Ca 0.00 1.02 -0.23 0.00 -0.03 0.00 0.00 56.01 56.77 2br4 n LEU 177 Cb 0.00 -1.48 -0.06 0.00 -2.33 0.00 0.00 43.42 39.56 2br4 n LEU 177 CO 0.00 -0.02 -0.15 -1.61 -1.33 0.00 0.00 177.39 174.28 2br4 s GLU 178 N 2.25 2.38 0.05 3.23 2.02 -1.26 -4.87 118.70 122.51 2br4 s GLU 178 Ca 0.82 -1.60 -0.37 0.00 0.02 0.00 0.00 54.97 53.84 2br4 s GLU 178 Cb -0.59 -2.18 -0.16 0.00 0.10 0.00 0.00 34.13 31.30 2br4 s GLU 178 CO 0.40 0.00 1.40 -1.91 0.02 0.00 0.00 175.26 175.17 2br4 n GLU 179 N -1.25 1.21 0.00 1.61 2.13 -1.26 -1.63 120.64 121.45 2br4 n GLU 179 Ca -0.01 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.24 2br4 n GLU 179 Cb 0.62 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.24 2br4 n GLU 179 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2br4 n GLY 180 N 2.74 2.00 3.80 8.31 0.00 -0.62 -4.99 105.19 116.44 2br4 n GLY 180 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 2br4 n GLY 180 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2br4 s ASP 181 N -1.47 6.33 -0.02 1.61 1.01 -0.65 -4.73 116.67 118.76 2br4 s ASP 181 Ca 0.00 1.86 -0.05 0.00 0.71 0.00 0.00 52.55 55.06 2br4 s ASP 181 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 2br4 s ASP 181 CO 0.00 -0.79 0.22 -0.31 0.21 0.00 0.00 175.17 174.50 2br4 s TYR 182 N -2.14 3.57 -0.24 4.23 1.51 -0.71 -0.92 117.35 122.66 2br4 s TYR 182 Ca 0.65 0.50 0.00 0.00 -1.01 0.00 0.00 57.07 57.21 2br4 s TYR 182 Cb -0.15 -1.93 0.07 0.00 -0.11 0.00 0.00 41.96 39.84 2br4 s TYR 182 CO 0.23 0.64 -0.02 0.12 -1.11 0.00 0.00 175.55 175.41 2br4 s PHE 183 N -1.27 2.23 -0.11 2.71 5.36 0.15 -1.34 117.98 125.72 2br4 s PHE 183 Ca 0.26 -1.70 -0.02 0.00 -0.96 0.00 0.00 56.93 54.51 2br4 s PHE 183 Cb -0.13 -1.59 -0.03 0.00 -0.34 0.00 0.00 43.02 40.93 2br4 s PHE 183 CO 0.15 -0.77 -0.02 0.42 -1.46 0.00 0.00 175.22 173.54 2br4 s ILE 184 N 1.45 4.06 -0.28 3.12 1.01 -0.12 -2.37 121.20 128.08 2br4 s ILE 184 Ca -0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 2br4 s ILE 184 Cb -0.18 -2.73 0.02 0.00 0.01 0.00 0.00 42.46 39.58 2br4 s ILE 184 CO -0.08 0.56 0.01 -0.63 0.00 0.00 0.00 174.94 174.80 2br4 s ILE 185 N -0.43 3.34 0.03 2.92 1.01 -0.71 -0.74 121.20 126.63 2br4 s ILE 185 Ca 0.07 -0.98 -0.18 0.00 0.00 0.00 0.00 60.65 59.57 2br4 s ILE 185 Cb -0.12 -2.76 -0.06 0.00 0.01 0.00 0.00 42.46 39.53 2br4 s ILE 185 CO 0.02 0.08 0.51 -1.61 0.00 0.00 0.00 174.94 173.94 2br4 s GLU 186 N 1.38 4.13 0.00 2.79 2.02 -0.84 -4.57 118.70 123.62 2br4 s GLU 186 Ca -0.00 0.61 0.00 0.00 0.02 0.00 0.00 54.97 55.60 2br4 s GLU 186 Cb -0.18 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.80 2br4 s GLU 186 CO -0.01 0.59 0.00 -0.25 0.02 0.00 0.00 175.26 175.61 2br4 n ASP 187 N 2.01 0.00 0.07 -0.19 8.00 0.52 -4.70 116.55 122.26 2br4 n ASP 187 Ca -0.11 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.34 2br4 n ASP 187 Cb 0.51 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.53 2br4 n ASP 187 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2br4 h MET 188 N 0.00 0.00 -0.32 -1.24 2.86 -1.85 -3.39 114.93 110.99 2br4 h MET 188 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2br4 h MET 188 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2br4 h MET 188 CO 0.00 0.81 0.17 0.82 1.06 0.00 0.00 176.91 179.78 2br4 h ILE 189 N 0.00 1.14 -0.55 -1.22 2.04 -1.84 -0.85 117.51 116.22 2br4 h ILE 189 Ca -0.04 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.48 2br4 h ILE 189 Cb 1.69 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 2br4 h ILE 189 CO 0.11 0.14 0.37 -0.65 0.00 0.00 0.00 178.15 178.12 2br4 h PRO 190 N 0.40 0.67 -0.02 2.37 0.11 -1.83 -1.50 132.00 132.20 2br4 h PRO 190 Ca 0.11 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 2br4 h PRO 190 Cb 0.07 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.03 2br4 h PRO 190 CO -0.02 0.44 -0.03 1.88 -0.21 0.00 0.00 178.00 180.07 2br4 h TYR 191 N 0.69 0.07 -1.01 0.65 -1.99 -1.59 -2.11 116.97 111.68 2br4 h TYR 191 Ca 0.21 -0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.98 2br4 h TYR 191 Cb 0.01 -0.01 -0.06 0.00 2.00 0.00 0.00 36.73 38.67 2br4 h TYR 191 CO -0.00 0.58 0.65 -1.49 -0.00 0.00 0.00 178.16 177.91 2br4 h TRP 192 N -0.47 1.22 -0.16 4.88 6.55 -1.13 -0.66 115.95 126.18 2br4 h TRP 192 Ca 0.00 0.03 -0.13 0.00 0.95 0.00 0.00 58.89 59.74 2br4 h TRP 192 Cb 0.58 -0.40 -0.01 0.00 -0.86 0.00 0.00 29.16 28.46 2br4 h TRP 192 CO 0.11 0.66 -0.48 -0.92 -1.05 0.00 0.00 178.44 176.76 2br4 h TYR 193 N 1.22 0.49 -0.20 0.49 3.20 -1.31 0.66 116.97 121.51 2br4 h TYR 193 Ca 0.42 -0.15 -0.08 0.00 3.14 0.00 0.00 58.73 62.06 2br4 h TYR 193 Cb 0.11 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.28 2br4 h TYR 193 CO -0.00 0.80 -0.17 -0.09 -1.64 0.00 0.00 178.16 177.06 2br4 h ARG 194 N 0.32 0.47 0.17 1.82 2.43 -0.74 -2.86 114.38 115.98 2br4 h ARG 194 Ca 0.02 -0.24 -0.30 0.00 -0.81 0.00 0.00 59.98 58.64 2br4 h ARG 194 Cb 0.96 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.53 2br4 h ARG 194 CO 0.08 0.81 -1.41 1.88 -1.51 0.00 0.00 179.97 179.82 2br4 h TYR 195 N 0.15 0.64 -2.05 2.20 0.99 -1.07 -3.39 116.97 114.44 2br4 h TYR 195 Ca 0.04 -0.47 -0.51 0.00 2.00 0.00 0.00 58.73 59.78 2br4 h TYR 195 Cb 0.71 -0.03 -0.40 0.00 1.00 0.00 0.00 36.73 38.01 2br4 h TYR 195 CO 0.08 1.41 -1.09 0.00 -0.00 0.00 0.00 178.16 178.56 2br4 n ALA 196 N -2.64 2.52 -0.31 3.88 0.00 0.21 -5.00 120.51 119.18 2br4 n ALA 196 Ca -0.14 -3.63 -0.04 0.00 0.00 0.00 0.00 53.44 49.63 2br4 n ALA 196 Cb 1.06 -0.88 0.08 0.00 0.00 0.00 0.00 19.45 19.70 2br4 n ALA 196 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2br4 h PRO 197 N 3.24 1.15 -0.10 0.00 0.13 -1.64 -0.87 132.00 133.89 2br4 h PRO 197 Ca 0.10 -0.12 -0.20 0.00 -0.87 0.00 0.00 66.00 64.92 2br4 h PRO 197 Cb 0.88 -0.23 0.01 0.00 0.13 0.00 0.00 31.00 31.79 2br4 h PRO 197 CO 0.55 0.82 -0.70 0.37 -0.23 0.00 0.00 178.00 178.81 2br4 h GLN 198 N 1.15 0.66 -0.23 0.86 4.15 -1.93 -2.19 115.11 117.57 2br4 h GLN 198 Ca 0.30 -0.57 -0.16 0.00 0.77 0.00 0.00 58.65 58.99 2br4 h GLN 198 Cb -0.01 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 2br4 h GLN 198 CO -0.05 1.18 -0.50 1.25 -1.93 0.00 0.00 178.83 178.78 2br4 h LEU 199 N 0.32 0.70 0.53 -2.39 5.85 -1.94 -2.40 115.31 115.99 2br4 h LEU 199 Ca -0.06 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 2br4 h LEU 199 Cb 1.35 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 42.18 2br4 h LEU 199 CO 0.14 1.08 -0.25 0.15 -0.34 0.00 0.00 178.44 179.21 2br4 h PHE 200 N 0.50 -0.66 -0.78 1.25 3.57 -1.17 -0.42 116.94 119.23 2br4 h PHE 200 Ca 0.02 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.69 2br4 h PHE 200 Cb 1.05 0.22 -0.13 0.00 2.79 0.00 0.00 35.95 39.88 2br4 h PHE 200 CO 0.05 -0.37 0.12 0.77 -2.23 0.00 0.00 178.31 176.65 2br4 h SER 201 N -0.80 -0.13 -0.32 0.41 0.02 -1.44 0.24 113.55 111.53 2br4 h SER 201 Ca -0.07 0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 2br4 h SER 201 Cb 0.58 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 2br4 h SER 201 CO 0.12 -0.13 -0.13 -0.08 -1.14 0.00 0.00 176.83 175.47 2br4 h GLU 202 N 0.19 0.66 -0.08 3.45 4.22 -1.23 -1.14 114.58 120.65 2br4 h GLU 202 Ca 0.45 -0.28 0.01 0.00 0.08 0.00 0.00 59.36 59.63 2br4 h GLU 202 Cb 0.83 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2br4 h GLU 202 CO -0.61 0.86 0.01 1.88 -2.18 0.00 0.00 179.01 178.97 2br4 h TYR 203 N 0.43 0.01 -0.38 0.92 0.99 -0.33 -2.03 116.97 116.57 2br4 h TYR 203 Ca 0.07 0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.71 2br4 h TYR 203 Cb 0.65 0.01 -0.01 0.00 1.00 0.00 0.00 36.73 38.38 2br4 h TYR 203 CO 0.06 0.00 -0.16 1.25 -0.00 0.00 0.00 178.16 179.31 2br4 h LEU 204 N 0.04 0.79 -2.12 3.88 6.46 -0.94 -2.55 115.31 120.87 2br4 h LEU 204 Ca 0.03 -0.39 0.00 0.00 -0.12 0.00 0.00 57.88 57.40 2br4 h LEU 204 Cb 0.03 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.74 2br4 h LEU 204 CO -0.05 1.01 0.00 1.23 -0.62 0.00 0.00 178.44 180.01 2br4 h GLY 205 N 0.57 0.00 2.00 3.75 0.00 -1.13 -2.07 103.07 106.19 2br4 h GLY 205 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 2br4 h GLY 205 CO 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 176.53 2br4 h ALA 206 N 2.02 1.07 -0.46 3.60 0.00 -0.92 -2.55 119.26 122.03 2br4 h ALA 206 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2br4 h ALA 206 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2br4 h ALA 206 CO 0.00 0.08 0.00 1.19 0.00 0.00 0.00 179.25 180.52 2br4 n PHE 207 N -3.27 1.57 0.28 0.00 3.01 -0.78 -4.65 117.46 113.62 2br4 n PHE 207 Ca -0.01 -0.55 0.16 0.00 1.01 0.00 0.00 57.45 58.06 2br4 n PHE 207 Cb 0.26 -0.39 0.84 0.00 -0.01 0.00 0.00 39.48 40.17 2br4 n PHE 207 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 2br4 h ARG 208 N 3.14 0.00 0.00 -1.08 -0.00 -1.60 -0.72 114.38 114.12 2br4 h ARG 208 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2br4 h ARG 208 Cb 1.60 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.57 2br4 h ARG 208 CO 0.36 0.07 -0.75 -0.25 -0.00 0.00 0.00 179.97 179.39 2br4 n ASP 209 N -3.44 0.63 -0.02 0.08 8.00 -1.26 -4.47 116.55 116.07 2br4 n ASP 209 Ca -0.02 -0.32 -0.02 0.00 0.71 0.00 0.00 54.79 55.14 2br4 n ASP 209 Cb 0.21 0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 41.81 2br4 n ASP 209 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2br4 n VAL 210 N -1.70 0.25 -4.33 2.53 0.24 -0.93 -4.86 118.33 109.53 2br4 n VAL 210 Ca 0.04 -0.14 -0.22 0.00 -2.04 0.00 0.00 64.34 61.98 2br4 n VAL 210 Cb 0.38 -0.84 -0.13 0.00 -1.47 0.00 0.00 33.84 31.78 2br4 n VAL 210 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2br4 s LEU 211 N -4.54 2.25 0.09 1.34 1.43 -0.32 -1.50 118.68 117.42 2br4 s LEU 211 Ca -0.03 -0.60 0.05 0.00 -1.03 0.00 0.00 54.13 52.52 2br4 s LEU 211 Cb 0.01 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 45.44 2br4 s LEU 211 CO 0.14 0.04 -0.14 -0.94 0.23 0.00 0.00 176.35 175.67 2br4 s SER 212 N -1.61 1.79 -0.17 2.29 1.04 -0.63 -4.51 113.70 111.90 2br4 s SER 212 Ca 0.04 -0.70 -0.24 0.00 0.48 0.00 0.00 55.95 55.53 2br4 s SER 212 Cb -0.09 -0.05 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 2br4 s SER 212 CO 0.03 -0.11 0.76 -0.32 0.98 0.00 0.00 173.24 174.58 2br4 s MET 213 N -2.13 4.28 -0.57 4.02 1.75 -1.26 -1.36 119.30 124.02 2br4 s MET 213 Ca 0.02 0.89 -0.25 0.00 -1.25 0.00 0.00 55.69 55.10 2br4 s MET 213 Cb -0.08 -3.57 0.04 0.00 2.84 0.00 0.00 34.83 34.07 2br4 s MET 213 CO 0.02 -0.27 1.02 0.34 -0.65 0.00 0.00 175.02 175.48 2br4 s ASP 214 N 1.14 6.35 0.25 1.11 -1.08 -0.04 -4.90 116.67 119.50 2br4 s ASP 214 Ca 0.35 -0.29 0.25 0.00 -0.52 0.00 0.00 52.55 52.35 2br4 s ASP 214 Cb -0.16 -2.47 0.90 0.00 -1.46 0.00 0.00 42.92 39.73 2br4 s ASP 214 CO 0.12 -1.33 1.75 0.24 0.52 0.00 0.00 175.17 176.47 2br4 h MET 215 N 9.42 0.00 -0.09 4.34 2.86 -1.95 -1.08 114.93 128.43 2br4 h MET 215 Ca -0.26 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.31 2br4 h MET 215 Cb 1.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 2br4 h MET 215 CO 1.13 0.00 -0.24 1.25 1.06 0.00 0.00 176.91 180.10 2br4 h LEU 216 N 0.00 0.15 0.00 1.22 5.85 -1.98 -3.36 115.31 117.19 2br4 h LEU 216 Ca 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2br4 h LEU 216 Cb 0.56 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2br4 h LEU 216 CO 0.00 0.40 -1.00 -1.22 -0.34 0.00 0.00 178.44 176.28 2br4 n TYR 217 N -4.19 0.00 0.25 1.25 0.53 -1.09 -4.79 117.16 109.13 2br4 n TYR 217 Ca -0.01 0.00 0.14 0.00 -1.02 0.00 0.00 57.90 57.00 2br4 n TYR 217 Cb 0.34 -0.06 0.58 0.00 -1.03 0.00 0.00 39.34 39.17 2br4 n TYR 217 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2br4 h ALA 218 N 0.32 1.03 -0.36 -0.72 0.00 -1.34 -2.93 119.26 115.25 2br4 h ALA 218 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2br4 h ALA 218 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2br4 h ALA 218 CO 0.00 0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.47 2br4 n ASN 219 N -3.25 3.38 -0.16 0.00 3.02 -1.26 -0.97 115.26 116.02 2br4 n ASN 219 Ca 0.00 -2.33 0.11 0.00 -0.03 0.00 0.00 54.58 52.33 2br4 n ASN 219 Cb 0.36 -0.36 0.03 0.00 -0.61 0.00 0.00 39.78 39.20 2br4 n ASN 219 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2br4 n ALA 220 N 0.30 4.07 -3.22 5.41 0.00 -1.11 -4.92 120.51 121.04 2br4 n ALA 220 Ca 0.16 -0.55 -0.13 0.00 0.00 0.00 0.00 53.44 52.92 2br4 n ALA 220 Cb 0.60 -0.87 -0.09 0.00 0.00 0.00 0.00 19.45 19.09 2br4 n ALA 220 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2br4 s SER 221 N -2.81 -0.19 0.20 0.00 1.04 -1.26 -4.83 113.70 105.86 2br4 s SER 221 Ca 0.13 0.13 0.07 0.00 0.48 0.00 0.00 55.95 56.76 2br4 s SER 221 Cb 0.17 0.35 0.11 0.00 0.10 0.00 0.00 66.02 66.75 2br4 s SER 221 CO 0.73 -0.40 1.46 0.77 0.98 0.00 0.00 173.24 176.78 2br4 h SER 222 N 4.14 0.08 0.13 7.02 4.64 -1.94 -1.50 113.55 126.12 2br4 h SER 222 Ca -0.29 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 60.83 2br4 h SER 222 Cb 1.18 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2br4 h SER 222 CO 0.39 0.83 -0.50 1.56 -0.87 0.00 0.00 176.83 178.23 2br4 h GLN 223 N 0.04 0.42 -0.01 4.77 4.20 -1.97 -3.16 115.11 119.41 2br4 h GLN 223 Ca -0.02 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2br4 h GLN 223 Cb 1.37 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.17 2br4 h GLN 223 CO 0.11 0.83 -0.39 1.28 -0.67 0.00 0.00 178.83 179.98 2br4 n LEU 224 N -3.97 1.11 -4.66 1.46 4.77 -1.19 -0.36 117.00 114.17 2br4 n LEU 224 Ca -0.02 -0.32 -0.60 0.00 -0.03 0.00 0.00 56.01 55.03 2br4 n LEU 224 Cb 0.56 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 2br4 n LEU 224 CO 0.45 0.22 1.05 -0.67 -1.33 0.00 0.00 177.39 177.11 2br4 n ASP 225 N -0.75 1.42 -2.25 -1.43 2.03 -0.57 -0.89 116.55 114.11 2br4 n ASP 225 Ca 0.10 1.14 -0.15 0.00 0.52 0.00 0.00 54.79 56.40 2br4 n ASP 225 Cb 0.37 -1.02 -0.02 0.00 -0.72 0.00 0.00 41.12 39.73 2br4 n ASP 225 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2br4 n ARG 226 N 3.71 -1.94 0.00 -0.67 1.74 -0.15 -4.65 116.66 114.71 2br4 n ARG 226 Ca 0.25 0.74 0.00 0.00 -0.77 0.00 0.00 57.85 58.08 2br4 n ARG 226 Cb 0.07 -5.30 0.00 0.00 -1.02 0.00 0.00 32.46 26.20 2br4 n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2br4 n GLY 227 N -0.76 -0.44 3.51 -0.13 0.00 -0.07 -4.97 105.19 102.32 2br4 n GLY 227 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 2br4 n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2br4 s VAL 228 N -0.17 4.66 0.17 1.61 1.01 -1.23 -1.73 120.40 124.72 2br4 s VAL 228 Ca 0.00 0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.16 2br4 s VAL 228 Cb 0.00 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 2br4 s VAL 228 CO 0.00 -0.84 -0.17 -0.76 0.00 0.00 0.00 175.10 173.33 2br4 s LEU 229 N 3.23 2.71 0.05 3.92 1.43 -1.00 -0.86 118.68 128.16 2br4 s LEU 229 Ca 0.25 -0.68 -0.06 0.00 -1.03 0.00 0.00 54.13 52.60 2br4 s LEU 229 Cb -0.14 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 2br4 s LEU 229 CO 0.18 0.13 0.11 0.00 0.23 0.00 0.00 176.35 177.00 2br4 s ARG 230 N -2.63 0.65 0.14 1.70 1.70 -0.47 -0.67 118.95 119.38 2br4 s ARG 230 Ca 0.22 -0.81 -0.30 0.00 -0.47 0.00 0.00 55.73 54.36 2br4 s ARG 230 Cb -0.09 0.25 -0.08 0.00 -0.57 0.00 0.00 34.95 34.47 2br4 s ARG 230 CO 0.12 -0.17 1.25 0.50 -1.08 0.00 0.00 175.30 175.92 2br4 s ARG 231 N -2.93 4.43 0.38 3.89 6.06 -0.09 -1.60 118.95 129.08 2br4 s ARG 231 Ca -0.02 1.91 0.08 0.00 -2.50 0.00 0.00 55.73 55.19 2br4 s ARG 231 Cb 0.01 -3.26 -0.03 0.00 0.06 0.00 0.00 34.95 31.73 2br4 s ARG 231 CO -0.06 -0.21 0.32 0.14 -2.50 0.00 0.00 175.30 172.99 2br4 s VAL 232 N 0.44 3.07 0.26 7.11 -7.23 -0.56 -1.59 120.40 121.90 2br4 s VAL 232 Ca 0.57 -1.38 -0.31 0.00 -1.81 0.00 0.00 61.98 59.05 2br4 s VAL 232 Cb -0.33 -3.08 -0.13 0.00 0.56 0.00 0.00 36.38 33.40 2br4 s VAL 232 CO 0.34 -0.09 1.47 0.00 -0.31 0.00 0.00 175.10 176.51 2br4 n ALA 233 N -1.44 1.61 0.67 1.32 0.00 -1.26 -4.75 120.51 116.67 2br4 n ALA 233 Ca 0.01 0.40 0.05 0.00 0.00 0.00 0.00 53.44 53.90 2br4 n ALA 233 Cb 0.61 -2.34 0.32 0.00 0.00 0.00 0.00 19.45 18.04 2br4 n ALA 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50